Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 3/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14282201 | 0.73 | CYP3A4 (0.49) | IDO1CYP3A4CYP1A2CYP2C9GAA | |
| SCHEMBL25968369 | 0.68 | CYP4F2 (0.41) | EGLN2GAAMEN1ALDH1A1LMNA | |
| SCHEMBL25968371 | 0.68 | EGLN2 (0.42) | EGLN2IDO1PDE3BPDE3ACYP3A4 | |
| SCHEMBL28811546 | 0.66 | IDO1 (0.52) | CYP11B1CYP11B2CYP19A1IDO1CYP3A4 | |
| SCHEMBL14282208 | 0.63 | RAB9A (0.53) | CYP3A4CYP1A2CYP2C19ALDH1A1LMNA | |
| SCHEMBL29105016 | 0.62 | IDO1 (0.47) | EGLN2CYP11B1CYP11B2CYP19A1IDO1 | |
| SCHEMBL16535098 | 0.62 | EGLN2 (0.40) | EGLN2PDE3BPDE3ACA12CA9 | |
| SCHEMBL16879958 | 0.62 | CYP3A4 (0.54) | EGLN2IDO1PDE3BPDE3ACYP3A4 | |
| SCHEMBL16672827 | 0.61 | IDO1 (0.54) | CYP11B1CYP11B2CYP19A1IDO1CYP3A4 | |
| SCHEMBL5293242 | 0.60 | IDO1 (0.46) | CYP11B1CYP11B2CYP19A1IDO1CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023150591-A2 | PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS | D.E. SHAW RESEARCH, LLC (US) | 2023-08-10 | — | — | WO | disclosed |